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Irbesartan Impurity 22

CAT: 1596-AR-I03877-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I03877-01Size:10 Units
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CAS Number
1312996-19-2
Molecular Formula
C21H20N6O2
Molecular Weight
388.43
API Name
Irbesartan

Chemical Information

Irbesartan Impurity 10
CAS Number1312996-19-2
PubChem CID176481160
IUPAC Name2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4,5-dione
Molecular FormulaC21H20N6O2
Molecular Weight388.4
XLogP3.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity631
SMILES
CCCCC1=NC(=O)C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4
InChI
InChI=1S/C21H20N6O2/c1-2-3-8-18-22-20(28)21(29)27(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)19-23-25-26-24-19/h4-7,9-12H,2-3,8,13H2,1H3,(H,23,24,25,26)
InChIKey
GGFQVGJIRFDFGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Irbesartan Impurity 10
CAS: 1312996-19-2
CID: 176481160
Formula: C21H20N6O2
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass388.16477390
Monoisotopic Mass388.16477390
Topological Polar Surface Area104 Ų
Heavy Atom Count29
Formal Charge0
Complexity631
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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